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Atom, Atom-Type, and Total Linear Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”: Application to QSPR/QSAR Studies of Organic Compounds
In this paper we describe the application in QSPR/QSAR studies of a new group of molecular descriptors: atom, atom-type and total linear indices of the molecular pseudograph’s atom adjacency matrix. These novel molecular descriptors were used for the prediction of boiling point and partition coeffic...
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| Publicado en: | Molecules |
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| Autores principales: | , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
MDPI
2004
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6147330/ https://ncbi.nlm.nih.gov/pubmed/18007507 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/91201100 |
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